N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide

C14H23N3O3 — CID 99716263

IUPACN-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCC(C)[C@@H](O)Cc1nc(CC(=O)NC2CCCC2)no1
InChIInChI=1S/C14H23N3O3/c1-9(2)11(18)7-14-16-12(17-20-14)8-13(19)15-10-5-3-4-6-10/h9-11,18H,3-8H2,1-2H3,(H,15,19)/t11-/m0/s1
InChIKeyUBKIHRDYKIIUIT-NSHDSACASA-N
MW281.36 g/mol
LogP1.23
Rot. Bonds6

About N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide

N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 99716263) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID99716263
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCC(C)[C@@H](O)Cc1nc(CC(=O)NC2CCCC2)no1
InChIInChI=1S/C14H23N3O3/c1-9(2)11(18)7-14-16-12(17-20-14)8-13(19)15-10-5-3-4-6-10/h9-11,18H,3-8H2,1-2H3,(H,15,19)/t11-/m0/s1
InChIKeyUBKIHRDYKIIUIT-NSHDSACASA-N
XLogP1.23
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 99716263) is N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide is CC(C)[C@@H](O)Cc1nc(CC(=O)NC2CCCC2)no1.
What is the InChIKey of N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is UBKIHRDYKIIUIT-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)11(18)7-14-16-12(17-20-14)8-13(19)15-10-5-3-4-6-10/h9-11,18H,3-8H2,1-2H3,(H,15,19)/t11-/m0/s1.
What are the key properties of N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 99716263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).